3-[6-methyl-4-oxidanylidene-2-[1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[1-methyl-2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[1-oxo-1-[2-(phenylthio)anilino]propan-2-yl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-4-oxo-2-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-1-methyl-2-[2-(phenylthio)anilino]ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C23H23N3O4S2/c1-14-17(12-13-20(27)28)22(30)26-23(24-14)31-15(2)21(29)25-18-10-6-7-11-19(18)32-16-8-4-3-5-9-16/h3-11,15H,12-13H2,1-2H3,(H,25,29)(H,27,28)(H,24,26,30)